Trendbericht Anorganische Chemie 2024: Hauptgruppen‐ und Molekülchemie

Nachrichten aus der Chemie, Год журнала: 2025, Номер 73(2), С. 46 - 55

Опубликована: Янв. 31, 2025

Abstract Das erste heterobimetallische Dimetallocen; mit sterisch anspruchsvollen Liganden lassen sich einfach‐koordinierte Hauptgruppenverbindungen der Gruppen 13 bis 15 herstellen; neue Diazoverbindungen erlauben es, B‐R‐Einheiten und Kohlenstoffatome zu übertragen.

Halogen Bond Strength in Solids Quantified via Zeeman-Perturbed Nuclear Quadrupole Resonance Spectroscopy

Journal of the American Chemical Society, Год журнала: 2025, Номер unknown

Опубликована: Март 4, 2025

Proton NMR is a ubiquitous and valuable probe of hydrogen bonds. Conversely, 127I strong halogen bond (XB) donors hopeless due to quadrupolar coupling constants (CQ) on the order GHz. We report here an innovative implementation Zeeman-perturbed nuclear quadrupole resonance (Zp-NQR) spectroscopy, employing adjustable magnetic fields mT, which renders possible acquisition analysis spectra 79Br nuclei subject couplings up 2.3 GHz in solid powders. This approach demonstrated three series halogen-bonded cocrystals based so-called "iconic" XB p-diiodotetrafluorobenzene, sym-trifluorotriiodobenzene, p-dibromotetrafluorobenzene (27 compounds). Analysis using diagonalization Zeeman-quadrupolar Hamiltonian provides CQ values asymmetry parameters, thereby overcoming various limitations encountered pure NQR. Inspection data reveals correlations with geometrical structural features bond, including its length. Dispersion-corrected zeroth-order regular approximation relativistic DFT computations interaction energies donor are strongly correlated experimental computed CQ(127I) CQ(79Br). It concluded that electric field gradient at site useful metric for quantifying strength solids. The range from ∼5 10 kcal mol-1 systems studied herein. Zp-NQR amenable widespread application diverse problems chemical materials sciences related energy materials, crystal engineering, many comprising isotopes.

Язык: Английский

Synergistic σ/π-Hole Interactions Directing Supramolecular Assembly: Tellurium···Platinum Chalcogen Bonding Enhanced by π-Stacking

Crystal Growth & Design, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 25, 2024

Язык: Английский